CID 70670

1099-45-2

Structural Information

Molecular Formula

C₂₂H₂₁O₂P

SMILES

CCOC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H21O2P/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3

InChIKey

IIHPVYJPDKJYOU-UHFFFAOYSA-N

Compound name

ethyl 2-(triphenyl-lambda5-phosphanylidene)acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 7951
Patents: 348.12793 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	349.13521	185.2
[M+Na]+	371.11715	200.1
[M+NH4]+	366.16175	193.1
[M+K]+	387.09109	190.9
[M-H]-	347.12065	191.2
[M+Na-2H]-	369.10260	196.5
[M]+	348.12738	189.2
[M]-	348.12848	189.2

Literature stripe

literature stripe

Patent stripe

patents stripe